S974-1017 Screening compound: N-{3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide

S974-1017 Screening compound: N-{3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
S974-1017 Screening compound: N-{3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-1017
N-{3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S974-1017

Molecular Formula

C17H25N5O3 (C17 H25 N5 O3)

Compound Name

N-{3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide

IUPAC name

N-[(3S7S8aS)-3-methyl-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-oxo-octahydropyrrolo[12-a]pyrazin-7-yl]acetamide

SMILES

C[C@@H](C(N(C[C@H](C1)NC(C)=O)[C@@H]1C1)=O)N1C(CCn1ncc(C)c1)=O

InChI

InChI=1S/C17H25N5O3/c1-11-7-18-20(8-11)5-4-16(24)21-10-15-6-14(19-13(3)23)9-22(15)17(25)12(21)2/h7-8,12,14-15H,4-6,9-10H2,1-3H3,(H,19,23)/t12-,14+,15-/m0/s1

InChI Key

WUOZFTKZDSMYHR-CFVMTHIKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.848

Distribution Coefficient, logD

-0.848

Water Solubility, LogSw

-0.67

Polar Surface Area

70.985

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.71

S974-1017 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S974-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-1017?
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What is the minimum amount of S974-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-1017
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S974-1017 available by request